2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C21H17F3N4O2S — CID 168664458

IUPAC2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3ccc(Oc4cccc(C(F)(F)F)c4)nc3)c(C)nc2s1
InChIInChI=1S/C21H17F3N4O2S/c1-12-11-28-18(13(2)27-20(28)31-12)19(29)26-10-14-6-7-17(25-9-14)30-16-5-3-4-15(8-16)21(22,23)24/h3-9,11H,10H2,1-2H3,(H,26,29)
InChIKeyOWZPITIWVLYETD-UHFFFAOYSA-N
MW446.45 g/mol
LogP5.15
Rot. Bonds5

About 2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 168664458) has the molecular formula C21H17F3N4O2S and a molecular weight of 446.45 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID168664458
Molecular FormulaC21H17F3N4O2S
Molecular Weight446.45 g/mol
Exact Mass446.10
IUPAC Name2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3ccc(Oc4cccc(C(F)(F)F)c4)nc3)c(C)nc2s1
InChIInChI=1S/C21H17F3N4O2S/c1-12-11-28-18(13(2)27-20(28)31-12)19(29)26-10-14-6-7-17(25-9-14)30-16-5-3-4-15(8-16)21(22,23)24/h3-9,11H,10H2,1-2H3,(H,26,29)
InChIKeyOWZPITIWVLYETD-UHFFFAOYSA-N
XLogP5.15
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 168664458) is 2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cn2c(C(=O)NCc3ccc(Oc4cccc(C(F)(F)F)c4)nc3)c(C)nc2s1.
What is the InChIKey of 2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is OWZPITIWVLYETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2S/c1-12-11-28-18(13(2)27-20(28)31-12)19(29)26-10-14-6-7-17(25-9-14)30-16-5-3-4-15(8-16)21(22,23)24/h3-9,11H,10H2,1-2H3,(H,26,29).
What are the key properties of 2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 446.45 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 168664458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).